Energetics of Surface Multilayer Relaxation on W (001): Evidence for Short-Range Screening

C. L. Fu*, S. Ohnishi, E. Wimmer, A. J. Freeman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

82 Scopus citations


Multilayer relaxation of the W (001) surface is explored by the all-electron local-density-functional total-energy approach. In agreement with recent experiments, we find a contraction of the topmost interlayer spacing by 5.7%. Surprisingly, the amount of this contraction is independent of the relaxation of the inner layers, which are predicted to be expanded by 2.4% and 1.2% for the second and third interlayer spacings, respectively. Thus, the driving mechanism for the relaxation process appears to be of a local nature because of short-range screening effects at the transition-metal surface.

Original languageEnglish (US)
Pages (from-to)675-678
Number of pages4
JournalPhysical review letters
Issue number7
StatePublished - 1984

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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